Ozagrel Hydrochloride Hydrate
Basic information
- CAS
83993-01-5- Standard SMILES
Cl.O.O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1- InChIKey
OWIZTYOMGVTSDP-TXOOBNKBSA-N- Molecular formula
- C13H15ClN2O3
- Average molar mass
- 282.72 g/mol
- Monoisotopic mass
- 282.07712
Names & identifiers
- Preferred name
- Ozagrel Hydrochloride Hydrate
- IUPAC
- (E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid;hydrate;hydrochloride
- English name
- Ozagrelhydrochloridehydrate
- Molecular formula
- C13H15ClN2O3
- Molecular weight
- 282.7228
Names & synonyms
Ozagrel hydrochloride hydrateOzagrel hydrochloride monohydrate83993-01-5UNII-C0I3AF4OHVC0I3AF4OHVOzagrel hydrochloride hydrate [JAN]2-Propenoic acid, 3-(4-(1H-imidazol-1-ylmethyl)phenyl)-, hydrochloride, hydrate (1:1:1)DTXSID30232877Ozagrel hydrochloride hydrate (JAN)RefChem:16919478712-43-3, anhydrideDTXCID60155368
Show more names
OZAGRELHYDROCHLORIDEHYDRATE(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid;hydrate;hydrochlorideDomenanDomenan (TN)OZAGREL HCL HYDRATEMLS002695886SCHEMBL10493930MFCD00911569
Database identifiers
- CAS
83993-01-5- PubChem CID
- 5282439
- DTXSID
DTXSID30232877- UNII
- C0I3AF4OHV
Properties
Computed structural properties
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- FDA UNII
- 0 I3AF4OHV · C0I3AF4OHV
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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